Showing entry for 2-Methylbenzaldehyde


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000473
Compound Name2-Methylbenzaldehyde
Structure
FormulaC8H8O
InchiKeyBTFQKIATRPGRBS-UHFFFAOYSA-N
SMILESCC1=CC=CC=C1C=O
InchiInChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
IUPAC2-methylbenzaldehyde
Molecular Weight120.15
Pubchem Id10722
Chembl IdCHEMBL1487138
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 85648
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT004563 Polyphenol oxidase 2 reviewed PPO2 1853000 2600000 - -
CHEMBL CHEMBL1487138
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 6309 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 183 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 14125 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 47307 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 33491 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 17 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00043 Caraway Carum carvi Herbs and Spices
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00063 Saffron Crocus sativus Herbs and Spices
BXGF00802 Soft-necked garlic Allium sativum L. var. sativum Herbs and Spices
BXGF00806 Alcoholic beverages Beverages
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00821 Nuts Nuts
BXGF00823 Fruits Fruits
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease